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55755-16-3 molecular structure
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2-(2-methylphenyl)ethan-1-amine

ChemBase ID: 8306
Molecular Formular: C9H13N
Molecular Mass: 135.20622
Monoisotopic Mass: 135.10479942
SMILES and InChIs

SMILES:
c1ccc(c(c1)CCN)C
Canonical SMILES:
NCCc1ccccc1C
InChI:
InChI=1S/C9H13N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7,10H2,1H3
InChIKey:
OWOUKRYOZIZVFK-UHFFFAOYSA-N

Cite this record

CBID:8306 http://www.chembase.cn/molecule-8306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methylphenyl)ethan-1-amine
IUPAC Traditional name
benzeneethanamine, 2-methyl-
Synonyms
2-Methylphenethylamine
2-Methylphenethylamine
2-(o-Tolyl)ethylamine
2-(o-Tolyl)ethanaMine
2-(邻甲苯基)乙胺
CAS Number
55755-16-3
MDL Number
MFCD01310827
PubChem SID
160971613
PubChem CID
2063868

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2063868 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1094118  LogD (pH = 7.4) -0.41366762 
Log P 1.9010968  Molar Refractivity 44.3276 cm3
Polarizability 17.282352 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
97°C/5mm expand Show data source
Density
0.96 expand Show data source
Storage Warning
Air Sensitive expand Show data source
CORROSIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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